6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine

C25H21N3O — CID 171741459

IUPAC6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4ccoc4n3)ncn2)cc2ccccc12
InChIInChI=1S/C25H21N3O/c1-25(2,3)20-13-18(12-17-6-4-5-7-19(17)20)22-14-23(27-15-26-22)21-9-8-16-10-11-29-24(16)28-21/h4-15H,1-3H3
InChIKeyHWIWBVRHFCCLLO-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.40
Rot. Bonds2

About 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine

6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine (PubChem CID 171741459) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine
PubChem CID171741459
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4ccoc4n3)ncn2)cc2ccccc12
InChIInChI=1S/C25H21N3O/c1-25(2,3)20-13-18(12-17-6-4-5-7-19(17)20)22-14-23(27-15-26-22)21-9-8-16-10-11-29-24(16)28-21/h4-15H,1-3H3
InChIKeyHWIWBVRHFCCLLO-UHFFFAOYSA-N
XLogP6.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzofuran-7-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171742214
4-(1-benzofuran-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741463
4-(1-benzothiophen-5-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741885
7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741895
5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine
CID 171717980
4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
CID 156629468
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
CID 171741540
2-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-5-(2-methylpropyl)thieno[2,3-b]pyridine
CID 171742112
2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine
CID 171741679
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine
CID 171741748

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine?
The IUPAC name of 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine (CID 171741459) is 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine.
What is the SMILES notation for 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine?
The canonical SMILES for 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine is CC(C)(C)c1cc(-c2cc(-c3ccc4ccoc4n3)ncn2)cc2ccccc12.
What is the InChIKey of 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine?
The InChIKey is HWIWBVRHFCCLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-25(2,3)20-13-18(12-17-6-4-5-7-19(17)20)22-14-23(27-15-26-22)21-9-8-16-10-11-29-24(16)28-21/h4-15H,1-3H3.
What are the key properties of 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine?
6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine has a molecular weight of 379.46 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine is sourced from PubChem (CID 171741459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).